Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10118974 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTCYP1A2CYP2C19HPGDS | |
| SCHEMBL10118868 | 0.87 | PIK3CA (0.46) | PRMT5BRAF | |
| SCHEMBL12516631 | 0.79 | CTSB (0.57) | ALDH1A1HPGDSKDM4EPOLBHPGD | |
| SCHEMBL10118876 | 0.78 | ABL1 (0.41) | CYP1A2BRAF | |
| SCHEMBL12376678 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPTCYP1A2CYP2C19HPGDS | |
| SCHEMBL10118858 | 0.74 | MAOA (0.39) | ALDH1A1POLBHPGDSMN1; SMN2LMNA | |
| SCHEMBL10119268 | 0.74 | CTSB (0.46) | ALDH1A1HPGDSMN1; SMN2LMNA | |
| SCHEMBL10118971 | 0.73 | PIK3CA (0.54) | PRMT5BRAF | |
| SCHEMBL13101600 | 0.71 | ALDH1A1 (0.61) | ALDH1A1MAPTCYP1A2CYP2C19HPGDS | |
| SCHEMBL10119062 | 0.71 | ADAM17 (0.48) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012004554-A1 | ALDEHYDE COMPOUNDS AS INHIBITORS OF DUST MITE GROUP 1 PEPTIDASE ALLERGEN AND THEIR USE | ST GEORGE'S HOSPITAL MEDICAL SCHOOL (GB) | 2012-01-12 | — | — | WO | disclosed |